(2-methyl-5-propan-2-ylcyclopentyl) propanoate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Test dates: Aug.6, 2010 to Feb.4, 2011

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Remarks:

The study was conducted according to an internationally recognised method, and under GLP, with deviations in test conditions. The substance is adequately identified, but some data on composition is missing. Therefore validation applies with restrictions.

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

yes

Remarks:

maximum phase concentration

GLP compliance:

yes (incl. QA statement)

Remarks:

GIPC; effective July 24, 2009 (validity 18 months, postponed to Feb.28, 2011)

Type of method:

flask method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Storage conditions of test material: Room temperature protected from direct sun light.

Analytical method:

gas chromatography

Key result

Type:

log Pow

Partition coefficient:

4.3

Temp.:

20 °C

pH:

>= 0 - <= 14

Estimated value:

QSAR determination gave 4.39 as the estimated value (Source: kowwin v. 1.67, EPI Suite, EPA).

Measured value:

Table 4.7/1: Partition coefficient – results

ratio	40:2		40:4		40:1
replicate vessel	1	2	1	2	1	2
log Kow	4,24	4,25	4,13	4,14	4,38	4,41
mass balance	96,3%	102,2%	98,8%	99,9%	100,6%	102,2%

Mean Log Pow and SD = 4.26 +/- 0.12 (retained value: 4.3, rounded for SD)

The validity criteria were fulfilled: The six LogPow values fell within a range of ± 0.3 units.

The pH of the water phase was not measured.

Conclusions:

The substance has potential to bioaccumulate in the environment, according to CLP classification criteria for aquatic chronic toxicity (log Kow >4 ).

Executive summary:

The partition coefficient of the test substance was determined under GLP according to EU A.8 guideline, flask method.

Determinations were conducted in duplicate for three solvents ratio (40:2, 40:4 and 40:1, 2 replicates each), concentrations were measured using a GC-FID validated method. Individual results fulfilled the validity criteria for reproducibility, and mass balance was satisfactory, so the average value is retained.

The log Kow was determined to be 4.3 at 20°C.

Description of key information

The data is relevant for classification in aquatic chronic toxicity hazard class, according to CLP criteria.

The substance has potential for bioaccumulation (log Kow>4).

Key value for chemical safety assessment

Log Kow (Log Pow):

4.3

at the temperature of:

20 °C

Additional information

A reliable experimental study, conducted according to a recognized EC method and under GLP, is available. Despite restrictions due to test conditions and incomplete test item identification, it is considered as key study, and the result is retained as key data.